SCHEMBL19912524

SCHEMBL19912524

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.35
AR P10275 2/20 0.35
RXRA P19793 2/20 0.34
RXRG P48443 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM5B Q9UGL1 2/20 0.32
KDM4A O75164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
TACR1 P25103 2/20 0.32
RXRB P28702 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19912527 0.97 AR (0.37) KIF11ARRXRARXRGALDH1A1
SCHEMBL19912556 0.97 KIF11 (0.37) KIF11ARRXRARXRGPDE9A
SCHEMBL19912540 0.96 AR (0.37) KIF11ARRXRARXRGPDE9A
SCHEMBL19912545 0.96 KIF11 (0.36) KIF11ARRXRARXRGPDE9A
SCHEMBL19903559 0.96 KIF11 (0.36) KIF11ARRXRARXRGPDE9A
SCHEMBL19912533 0.95 AR (0.41) KIF11ARPDE9APDE1CALDH1A1
SCHEMBL19912379 0.94 AR (0.35) KIF11ARRXRARXRGPDE9A
SCHEMBL19917817 0.94 KIF11 (0.36) KIF11ARRXRARXRGPDE9A
SCHEMBL19917999 0.93 RXRA (0.37) KIF11RXRARXRGALDH1A1MAPT
SCHEMBL19913190 0.92 MAPK14 (0.34) KIF11ARRXRARXRGPDE9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180062086-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, AOC3 KIF11 3316/4885AR 4212/4885RXRA 3635/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.